(3-butoxy-4-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone

Systemtic Name: (3-butoxy-4-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone Openeye Name: (3-butoxy-4-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone CAS Name: (3-butoxy-4-methoxyphenyl)-(1-piperazin-4-iumyl)methanone IUPAC Name: (3-butoxy-4-methoxyphenyl)-piperazin-4-ium-1-ylmethanone Traditional Name: (3-butoxy-4-methoxy-phenyl)-piperazin-4-ium-1-yl-methanone Formula: C16H25N2O3+ MolecularWeight: 293.3813

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=CC(=C1)C(=O)N2CC[NH2+]CC2)OC

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)C(=O)N2CC[NH2+]CC2)OC

InChI

InChI=1S/C16H24N2O3/c1-3-4-11-21-15-12-13(5-6-14(15)20-2)16(19)18-9-7-17-8-10-18/h5-6,12,17H,3-4,7-11H2,1-2H3/p+1